SCHEMBL28804181

SCHEMBL28804181

CCCC(=O)N(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)C(C(=O)O)C(C)C

nearest known ligand 0.90

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 19/20 0.90
LTB4R2 Q9NPC1 2/20 0.90
ABCB11 O95342 1/20 0.90
GP6 Q9HCN6 1/20 0.90
AGTR2 P50052 6/20 0.55

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Valsartan SCHEMBL29518879 0.94 AGTR1 (1.00) AGTR1LTB4R2ABCB11GP6AGTR2
Valsartan SCHEMBL8476946 0.94 AGTR1 (1.00) AGTR1LTB4R2ABCB11GP6AGTR2
Valsartan SCHEMBL678231 0.94 AGTR1 (1.00) AGTR1LTB4R2ABCB11GP6AGTR2
Valsartan SCHEMBL678796 0.94 AGTR1 (1.00) AGTR1LTB4R2ABCB11GP6AGTR2
Valsartan SCHEMBL24722321 0.94 AGTR1 (1.00) AGTR1LTB4R2ABCB11GP6AGTR2
Valsartan SCHEMBL31532957 0.94 AGTR1 (0.98) AGTR1LTB4R2ABCB11GP6AGTR2
SCHEMBL24224465 0.91 AGTR1 (0.80) AGTR1LTB4R2ABCB11GP6AGTR2
Valsartan SCHEMBL1828137 0.88 AGTR1 (0.86) AGTR1LTB4R2ABCB11GP6AGTR2
SCHEMBL24224463 0.87 AGTR1 (0.87) AGTR1LTB4R2ABCB11GP6AGTR2
SCHEMBL16482977 0.87 AGTR1 (0.86) AGTR1LTB4R2ABCB11GP6AGTR2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114814060-A Detection method of valsartan amlodipine tablet related substances 上海博志研新药物技术有限公司 2022-07-29 CN claimed
CN-114814060-B Detection method of valsartan amlodipine tablet related substances 上海博志研新药物研究有限公司 2024-05-10 CN disclosed
CN-114814060-A Detection method of valsartan amlodipine tablet related substances 上海博志研新药物技术有限公司 2022-07-29 CN disclosed